5,8-diethoxy-2-ethyl-N,3-dimethylquinolin-4-amine

C17H24N2O2 — CID 63562056

IUPAC5,8-diethoxy-2-ethyl-N,3-dimethylquinolin-4-amine
SMILESCCOc1ccc(OCC)c2c(NC)c(C)c(CC)nc12
InChIInChI=1S/C17H24N2O2/c1-6-12-11(4)16(18-5)15-13(20-7-2)9-10-14(21-8-3)17(15)19-12/h9-10H,6-8H2,1-5H3,(H,18,19)
InChIKeyPYWVJUULUZTJJC-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.94
Rot. Bonds6

About 5,8-diethoxy-2-ethyl-N,3-dimethylquinolin-4-amine

5,8-diethoxy-2-ethyl-N,3-dimethylquinolin-4-amine (PubChem CID 63562056) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5,8-diethoxy-2-ethyl-N,3-dimethylquinolin-4-amine.

Molecular Properties

Compound Name5,8-diethoxy-2-ethyl-N,3-dimethylquinolin-4-amine
PubChem CID63562056
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name5,8-diethoxy-2-ethyl-N,3-dimethylquinolin-4-amine
SMILESCCOc1ccc(OCC)c2c(NC)c(C)c(CC)nc12
InChIInChI=1S/C17H24N2O2/c1-6-12-11(4)16(18-5)15-13(20-7-2)9-10-14(21-8-3)17(15)19-12/h9-10H,6-8H2,1-5H3,(H,18,19)
InChIKeyPYWVJUULUZTJJC-UHFFFAOYSA-N
XLogP3.94
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,8-diethoxy-2-ethyl-N,3-dimethylquinolin-4-amine?
The IUPAC name of 5,8-diethoxy-2-ethyl-N,3-dimethylquinolin-4-amine (CID 63562056) is 5,8-diethoxy-2-ethyl-N,3-dimethylquinolin-4-amine.
What is the SMILES notation for 5,8-diethoxy-2-ethyl-N,3-dimethylquinolin-4-amine?
The canonical SMILES for 5,8-diethoxy-2-ethyl-N,3-dimethylquinolin-4-amine is CCOc1ccc(OCC)c2c(NC)c(C)c(CC)nc12.
What is the InChIKey of 5,8-diethoxy-2-ethyl-N,3-dimethylquinolin-4-amine?
The InChIKey is PYWVJUULUZTJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-6-12-11(4)16(18-5)15-13(20-7-2)9-10-14(21-8-3)17(15)19-12/h9-10H,6-8H2,1-5H3,(H,18,19).
What are the key properties of 5,8-diethoxy-2-ethyl-N,3-dimethylquinolin-4-amine?
5,8-diethoxy-2-ethyl-N,3-dimethylquinolin-4-amine has a molecular weight of 288.39 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diethoxy-2-ethyl-N,3-dimethylquinolin-4-amine is sourced from PubChem (CID 63562056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).